5-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-amine

C16H20N4O — CID 45218588

IUPAC5-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-amine
SMILESCC(c1ccc(-c2cnc(N)nc2)cc1)N1CCOCC1
InChIInChI=1S/C16H20N4O/c1-12(20-6-8-21-9-7-20)13-2-4-14(5-3-13)15-10-18-16(17)19-11-15/h2-5,10-12H,6-9H2,1H3,(H2,17,18,19)
InChIKeyOXOLHSOFZWFUNZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.12
Rot. Bonds3

About 5-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-amine

5-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-amine (PubChem CID 45218588) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-amine
PubChem CID45218588
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name5-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-amine
SMILESCC(c1ccc(-c2cnc(N)nc2)cc1)N1CCOCC1
InChIInChI=1S/C16H20N4O/c1-12(20-6-8-21-9-7-20)13-2-4-14(5-3-13)15-10-18-16(17)19-11-15/h2-5,10-12H,6-9H2,1H3,(H2,17,18,19)
InChIKeyOXOLHSOFZWFUNZ-UHFFFAOYSA-N
XLogP2.12
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-amine (CID 45218588) is 5-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-amine is CC(c1ccc(-c2cnc(N)nc2)cc1)N1CCOCC1.
What is the InChIKey of 5-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-amine?
The InChIKey is OXOLHSOFZWFUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(20-6-8-21-9-7-20)13-2-4-14(5-3-13)15-10-18-16(17)19-11-15/h2-5,10-12H,6-9H2,1H3,(H2,17,18,19).
What are the key properties of 5-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-amine?
5-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-amine has a molecular weight of 284.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 45218588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).